CID 102928

4'-methoxyflavanone

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3

InChIKey

QIUYUYOXCGBABP-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 593
Patents: 254.0943 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.10158	154.9
[M+Na]+	277.08352	163.0
[M-H]-	253.08702	163.2
[M+NH4]+	272.12812	171.5
[M+K]+	293.05746	160.6
[M+H-H2O]+	237.09156	147.1
[M+HCOO]-	299.09250	175.4
[M+CH3COO]-	313.10815	167.7
[M+Na-2H]-	275.06897	161.7
[M]+	254.09375	155.8
[M]-	254.09485	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe